AcLa2I9
Alexandria ALEXAlex-ID: agm102003172 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_622_spg1
LaI3 AcI3
2025-05-19 19:25:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102003172).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm102003172
data_agm102003172
_cell_length_a 4.95146
_cell_length_b 10.77216
_cell_length_c 12.38089
_cell_angle_alpha 64.08479
_cell_angle_beta 90.03976
_cell_angle_gamma 89.98726
_cell_volume 593.96451
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.37479 0.91493 0.08209 1.00000
La1 La 0.87556 0.32991 0.26106 1.00000
La2 La 0.87399 0.74032 0.71770 1.00000
I1 I 0.87443 0.10783 0.91834 1.00000
I2 I 0.87830 0.38346 0.47716 1.00000
I3 I 0.87500 0.47838 0.95927 1.00000
I4 I 0.37566 0.56006 0.18360 1.00000
I5 I 0.87513 0.80939 0.27286 1.00000
I6 I 0.37424 0.86448 0.82251 1.00000
I7 I 0.37394 0.62730 0.62581 1.00000
I8 I 0.87378 0.01480 0.48714 1.00000
I9 I 0.37517 0.16916 0.19246 1.00000
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